3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine

C10H16N4O2 — CID 63281307

IUPAC3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine
SMILESCC1CCCC1Nc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C10H16N4O2/c1-7-4-3-5-8(7)12-10-9(14(15)16)11-6-13(10)2/h6-8,12H,3-5H2,1-2H3
InChIKeyGSQRJVDNZRHRQK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.93
Rot. Bonds3

About 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine

3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine (PubChem CID 63281307) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine
PubChem CID63281307
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine
SMILESCC1CCCC1Nc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C10H16N4O2/c1-7-4-3-5-8(7)12-10-9(14(15)16)11-6-13(10)2/h6-8,12H,3-5H2,1-2H3
InChIKeyGSQRJVDNZRHRQK-UHFFFAOYSA-N
XLogP1.93
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-3-methyl-5-nitroimidazol-4-amine
CID 66185866
3-methyl-N-(3-methylsulfanylcyclohexyl)-5-nitroimidazol-4-amine
CID 113237753
N-(3-methyl-5-nitroimidazol-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 18095502
N-(3-methyl-5-nitroimidazol-4-yl)-1-propylpiperidin-4-amine
CID 18095690
1-methyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclohexane-1-carboxylic acid
CID 83214229
2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol
CID 114630052
2-methyl-1-[4-[(3-methyl-5-nitroimidazol-4-yl)amino]piperidin-1-yl]propan-1-one
CID 34000782
2-cyclohexyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]acetic acid
CID 61016160
3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
CID 43421926
N-(2-cyclopropylpropyl)-3-methyl-5-nitroimidazol-4-amine
CID 115591461
2-cyclopropyl-2-[(3-methyl-5-nitroimidazol-4-yl)amino]acetic acid
CID 62696940
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitroimidazol-4-amine
CID 61012461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine?
The IUPAC name of 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine (CID 63281307) is 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine.
What is the SMILES notation for 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine?
The canonical SMILES for 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine is CC1CCCC1Nc1c([N+](=O)[O-])ncn1C.
What is the InChIKey of 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine?
The InChIKey is GSQRJVDNZRHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-4-3-5-8(7)12-10-9(14(15)16)11-6-13(10)2/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine?
3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine has a molecular weight of 224.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclopentyl)-5-nitroimidazol-4-amine is sourced from PubChem (CID 63281307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).